[2-(3,3-difluoropiperidin-1-yl)-2-oxoethyl] (2S)-2-aminopropanoate

C10H16F2N2O3 — CID 129270762

IUPAC[2-(3,3-difluoropiperidin-1-yl)-2-oxoethyl] (2S)-2-aminopropanoate
SMILESC[C@H](N)C(=O)OCC(=O)N1CCCC(F)(F)C1
InChIInChI=1S/C10H16F2N2O3/c1-7(13)9(16)17-5-8(15)14-4-2-3-10(11,12)6-14/h7H,2-6,13H2,1H3/t7-/m0/s1
InChIKeyZQNHQFAZOUHTNG-ZETCQYMHSA-N
MW250.24 g/mol
LogP0.13
Rot. Bonds3

About [2-(3,3-difluoropiperidin-1-yl)-2-oxoethyl] (2S)-2-aminopropanoate

[2-(3,3-difluoropiperidin-1-yl)-2-oxoethyl] (2S)-2-aminopropanoate (PubChem CID 129270762) has the molecular formula C10H16F2N2O3 and a molecular weight of 250.24 g/mol. Its IUPAC name is [2-(3,3-difluoropiperidin-1-yl)-2-oxoethyl] (2S)-2-aminopropanoate.

Molecular Properties

Compound Name[2-(3,3-difluoropiperidin-1-yl)-2-oxoethyl] (2S)-2-aminopropanoate
PubChem CID129270762
Molecular FormulaC10H16F2N2O3
Molecular Weight250.24 g/mol
Exact Mass250.11
IUPAC Name[2-(3,3-difluoropiperidin-1-yl)-2-oxoethyl] (2S)-2-aminopropanoate
SMILESC[C@H](N)C(=O)OCC(=O)N1CCCC(F)(F)C1
InChIInChI=1S/C10H16F2N2O3/c1-7(13)9(16)17-5-8(15)14-4-2-3-10(11,12)6-14/h7H,2-6,13H2,1H3/t7-/m0/s1
InChIKeyZQNHQFAZOUHTNG-ZETCQYMHSA-N
XLogP0.13
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.24
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(3,3-difluoropiperidin-1-yl)-2-oxoethyl] (2S)-2-aminopropanoate?
The IUPAC name of [2-(3,3-difluoropiperidin-1-yl)-2-oxoethyl] (2S)-2-aminopropanoate (CID 129270762) is [2-(3,3-difluoropiperidin-1-yl)-2-oxoethyl] (2S)-2-aminopropanoate.
What is the SMILES notation for [2-(3,3-difluoropiperidin-1-yl)-2-oxoethyl] (2S)-2-aminopropanoate?
The canonical SMILES for [2-(3,3-difluoropiperidin-1-yl)-2-oxoethyl] (2S)-2-aminopropanoate is C[C@H](N)C(=O)OCC(=O)N1CCCC(F)(F)C1.
What is the InChIKey of [2-(3,3-difluoropiperidin-1-yl)-2-oxoethyl] (2S)-2-aminopropanoate?
The InChIKey is ZQNHQFAZOUHTNG-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H16F2N2O3/c1-7(13)9(16)17-5-8(15)14-4-2-3-10(11,12)6-14/h7H,2-6,13H2,1H3/t7-/m0/s1.
What are the key properties of [2-(3,3-difluoropiperidin-1-yl)-2-oxoethyl] (2S)-2-aminopropanoate?
[2-(3,3-difluoropiperidin-1-yl)-2-oxoethyl] (2S)-2-aminopropanoate has a molecular weight of 250.24 g/mol, XLogP of 0.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,3-difluoropiperidin-1-yl)-2-oxoethyl] (2S)-2-aminopropanoate is sourced from PubChem (CID 129270762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).